Glycoside
GD157253
Name:
3-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C33H42O16Smiles:
COc1cc(C=CC(=O)OCC=Cc2cc(OC)c(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)c(OC)c2)ccc1OAglycone:
COc1cc(C=CC(=O)OCC=Cc2cc(OC)c(O)c(OC)c2)ccc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 13 |
| MolWt: | 694.68 | Num_heavy_atoms: | 49 |
| TPSA: | 232.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD59256
Formula: C21H22O7
Smiles:
COc1cc(C=CC(=O)OCC=Cc2cc(OC)c(O)c(OC)c2)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
